N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride

C18H29ClN2O2 — CID 120885197

IUPACN-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCC1CCC(CCC(=O)N(CCN)CCc2ccccc2)O1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-15-7-8-17(22-15)9-10-18(21)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-6,15,17H,7-14,19H2,1H3;1H
InChIKeyJIDABVBZMFHKOY-UHFFFAOYSA-N
MW340.90 g/mol
LogP2.79
Rot. Bonds8

About N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120885197) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120885197
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCC1CCC(CCC(=O)N(CCN)CCc2ccccc2)O1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-15-7-8-17(22-15)9-10-18(21)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-6,15,17H,7-14,19H2,1H3;1H
InChIKeyJIDABVBZMFHKOY-UHFFFAOYSA-N
XLogP2.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
N-benzyl-N-(2-hydroxyethyl)-3-(5-methyloxolan-2-yl)propanamide
CID 111477088
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide
CID 120886926
N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide
CID 120886452
N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
CID 120886456
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
3-[(2,3-difluorophenyl)methyl-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]amino]propanoic acid
CID 124689274
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride (CID 120885197) is N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride is CC1CCC(CCC(=O)N(CCN)CCc2ccccc2)O1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is JIDABVBZMFHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-15-7-8-17(22-15)9-10-18(21)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-6,15,17H,7-14,19H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120885197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).